EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202865 - Penicillipyrone A

ChEBI IDCHEBI:202865
ChEBI NamePenicillipyrone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESCc1cc(=O)c2c(o1)O[C@H]1[C@@H](CC[C@H]3C(C)(C)[C@@H](O)CC[C@]13C)C2
InChIInChI=1S/C20H28O4/c1-11-9-14(21)13-10-12-5-6-15-19(2,3)16(22)7-8-20(15,4)17(12)24-18(13)23-11/h9,12,15-17,22H,5-8,10H2,1-4H3/t12-,15-,16-,17-,20-/m0/s1
InChIKeyRTMBTHYUTRLJOI-DTDKCHBMSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (24437979)
ChEBI Ontology
Outgoing Relation(s)
Penicillipyrone A (CHEBI:202865) is a organic heterotricyclic compound (CHEBI:26979)
Penicillipyrone A (CHEBI:202865) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2S,5S,7S,10S)-5-hydroxy-2,6,6,15-tetramethyl-16,18-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-dien-13-one
Manual XrefsDatabases
78436924ChemSpider